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456C

CRYSTAL STRUCTURE OF COLLAGENASE-3 (MMP-13) COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
A0008237molecular_functionmetallopeptidase activity
A0008270molecular_functionzinc ion binding
A0031012cellular_componentextracellular matrix
B0004222molecular_functionmetalloendopeptidase activity
B0006508biological_processproteolysis
B0008237molecular_functionmetallopeptidase activity
B0008270molecular_functionzinc ion binding
B0031012cellular_componentextracellular matrix
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 272
ChainResidue
ACBP1
AHIS222
AHIS226
AHIS232

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 273
ChainResidue
AHIS172
AASP174
AHIS187
AHIS200

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 274
ChainResidue
AGLY180
ASER182
ALEU184
AASP202
AGLU205
AASP179

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 272
ChainResidue
BCBP1
BHIS222
BHIS226
BHIS232

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 273
ChainResidue
BHIS172
BASP174
BHIS187
BHIS200

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA B 274
ChainResidue
BASP179
BGLY180
BPRO181
BSER182
BLEU184
BASP202
BGLU205

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE CBP A 1
ChainResidue
ALEU184
ALEU185
AALA186
ALEU218
AVAL219
AHIS222
AGLU223
AHIS226
AHIS232
ALEU239
APHE241
APRO242
AILE243
ATYR244
ATHR245
AZN272

site_idAC8
Number of Residues14
DetailsBINDING SITE FOR RESIDUE CBP B 1
ChainResidue
BLEU185
BALA186
BLEU218
BHIS222
BGLU223
BHIS226
BHIS232
BLEU239
BPHE241
BPRO242
BILE243
BTYR244
BTHR245
BZN272

Functional Information from PROSITE/UniProt
site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VAAHEFGHSL
ChainResidueDetails
AVAL219-LEU228

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000305|PubMed:23913860
ChainResidueDetails
AGLU223
BGLU223

site_idSWS_FT_FI2
Number of Residues24
DetailsBINDING: BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860, ECO:0000269|PubMed:8969305
ChainResidueDetails
AASP128
AASP202
AASP203
AGLU205
BASP128
BASP162
BASP179
BGLY180
BSER182
BLEU184
BASN194
AASP162
BGLY196
BASP198
BASP202
BASP203
BGLU205
AASP179
AGLY180
ASER182
ALEU184
AASN194
AGLY196
AASP198

site_idSWS_FT_FI3
Number of Residues16
DetailsBINDING: BINDING => ECO:0000269|PubMed:10926524, ECO:0000269|PubMed:10986126, ECO:0000269|PubMed:15734645, ECO:0000269|PubMed:15780611, ECO:0000269|PubMed:17196980, ECO:0000269|PubMed:17623656, ECO:0000269|PubMed:19422229, ECO:0000269|PubMed:20005097, ECO:0000269|PubMed:20726512, ECO:0000269|PubMed:22689580, ECO:0000269|PubMed:23810497, ECO:0000269|PubMed:23913860
ChainResidueDetails
AHIS172
BASP174
BHIS187
BHIS200
BHIS222
BHIS226
BHIS232
BMET240
AASP174
AHIS187
AHIS200
AHIS222
AHIS226
AHIS232
AMET240
BHIS172

site_idSWS_FT_FI4
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:8576151
ChainResidueDetails
AASN117
BASN117

site_idSWS_FT_FI5
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN152
BASN152

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1hfs
ChainResidueDetails
AGLU223
AMET240

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1hfs
ChainResidueDetails
BGLU223
BMET240

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1hfs
ChainResidueDetails
AGLU223

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1hfs
ChainResidueDetails
BGLU223

219515

PDB entries from 2024-05-08

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